K5(Na2In)2
Alexandria ALEXAlex-ID: agm005684347 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B4C5_919_spg12
Na2In K
2023-06-22 06:49:28.610242
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005684347).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
晶体结构 3D 渲染
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm005684347
data_agm005684347
_cell_length_a 4.65238
_cell_length_b 11.32343
_cell_length_c 10.80900
_cell_angle_alpha 82.09320
_cell_angle_beta 102.42776
_cell_angle_gamma 90.00000
_cell_volume 550.53979
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
K1 K 0.83378 0.24201 0.66757 1.00000
K2 K 0.16622 0.75799 0.33243 1.00000
K3 K 0.83007 0.85338 0.66014 1.00000
K4 K 0.50000 0.00000 0.00000 1.00000
K5 K 0.16993 0.14662 0.33986 1.00000
Na1 Na 0.38200 0.53177 0.76399 1.00000
Na2 Na 0.00291 0.34301 0.00581 1.00000
Na3 Na 0.61800 0.46823 0.23601 1.00000
Na4 Na 0.99709 0.65699 0.99419 1.00000
In1 In 0.22879 0.43604 0.45758 1.00000
In2 In 0.77121 0.56396 0.54242 1.00000
获取直接链接